Information card for entry 7036143

Structure parameters

• Formula: C36 H51 N9
• Calculated formula: C36 H51 N9
• SMILES: n1c2cccc1CN[C@@H]1[C@@H](NCc3nc(CN[C@@H]4[C@@H](NCc5nc(CN[C@@H]6[C@@H](NC2)CCC6)ccc5)CCC4)ccc3)CCC1
• Title of publication: Lanthanide(iii) and lead(ii) complexes of a chiral nonaaza macrocyclic amine based on 1,2-diaminocyclopentane.
• Authors of publication: Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 37
• Pages of publication: 16345 - 16351
• a: 12.18 ± 0.004 Å
• b: 9.051 ± 0.003 Å
• c: 15.766 ± 0.004 Å
• α: 90°
• β: 110.68 ± 0.03°
• γ: 90°
• Cell volume: 1626.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No